SCHEMBL303627

SCHEMBL303627

CN1CCOc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(N4CCCC4=O)c3)ccc21.Cc1nc(S(=O)(=O)N(Cc2ccccc2)c2cccc(N3CCOCC3)c2)cn1C.O=C1COc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(N4CCCC4=O)c3)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 2/20 0.32
PRNP P04156 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1968022 0.81 KMT2A (0.48) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL1966251 0.81 HTR2C (0.49) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL302774 0.78 HTR2C (0.58) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL3275347 0.76 HTR2C (0.54) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL304739 0.75 CNR2 (0.43) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL1966404 0.74 DRD4 (0.51) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL306481 0.70 PARP1 (0.42) KMT2AMEN1POLBDRD4PKM
SCHEMBL2210474 0.70 MEN1 (0.42) KMT2AMEN1POLBPKMPRNP
SCHEMBL318081 0.68 DRD4 (0.39) HTR2CDRD3HTR1AHTR2AHTR7
SCHEMBL1971605 0.68 CNR2 (0.38) HTR2CDRD3HTR1AHTR2AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500835-A 2012-01-12 JP claimed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP claimed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed